3,4-Dichloro-N-methylaniline

Base Information

• Chemical Name: 3,4-Dichloro-N-methylaniline
• CAS No.: 40750-59-2
• Molecular Formula: C7H7Cl2N
• Molecular Weight: 176.045
• Hs Code.: 2921420090
• European Community (EC) Number: 626-926-0
• DSSTox Substance ID: DTXSID20384197
• Nikkaji Number: J308.217B
• Wikidata: Q82176165
• Mol file: 40750-59-2.mol

Synonyms:3,4-Dichloro-N-methylaniline;40750-59-2;Benzenamine, 3,4-dichloro-N-methyl-;N-(3,4-Dichlorophenyl)-N-methylamine;N1-Methyl-3,4-dichloroaniline;n-methyl-3,4-dichloroaniline;SCHEMBL856883;3,4-dichloro-n-methylbenzenamine;DTXSID20384197;BCP32327;MFCD00052850;3,4-Dichloro-N-methylaniline, 97%;AKOS000254837;AM85758;BS-17030;CS-0139212;FT-0614254;EN300-1253947;A856648;W-202676

Chemical Property of 3,4-Dichloro-N-methylaniline

Chemical Property:

• Vapor Pressure: 0.00241mmHg at 25°C
• Refractive Index: n20/D 1.6015(lit.)
• Boiling Point: 287.9 °C at 760 mmHg
• PKA: 3.36±0.25(Predicted)
• Flash Point: 127.9 °C
• PSA: 12.03000
• Density: 1.325 g/cm³
• LogP: 3.10810
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.9955546
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%min ^*data from raw suppliers

N1-Methyl-3,4-dichloroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC(=C(C=C1)Cl)Cl

Technology Process of 3,4-Dichloro-N-methylaniline

There total 11 articles about 3,4-Dichloro-N-methylaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + m,p-dichloroaniline (95-76-1) → 3,4-dichloro-N-methylaniline (40750-59-2)

Guidance literature:

formaldehyd; m,p-dichloroaniline; With sodium methylate; In methanol; at 20 ℃; Inert atmosphere;

With sodium tetrahydroborate; In methanol; for 8h; Reflux;

Reference yield: 90.0%

N-(3,4-dichlorophenyl)formamide (5470-15-5) → 3,4-dichloro-N-methylaniline (40750-59-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jm00014a014

Reference yield: 72.0%

3,4-dichloro-N,N-dimethylaniline (58566-66-8) → 3,4-dichloro-N-methylaniline (40750-59-2) + 3,4-dichloro-N-methylphenylformamide (18153-49-6)

Guidance literature:

With sodium tetrafluoroborate; [Cu(salicylate)₂(NCMe)]₂; tetrabutyl-ammonium chloride; oxygen; In acetonitrile; at 40 ℃; Schlenk technique;

DOI:10.1002/cctc.201901962

upstream raw materials:

2-(N-Methyl-3,4-dichloranilino)-2-methyl-2-phenylacetonitril

2-(N-Methyl-3,4-dichloranilino)-2-phenylacetonitril

N-(3,4-dichlorophenyl)formamide

m,p-dichloroaniline

Downstream raw materials:

N-methyl-N-(3,4-dichlorophenyl)carbamoyl chloride

m,p-dichloroaniline

Refernces

• 1、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 001116; 001117. . Retrieved 2021/01/22.
• 2、 Meng, Jing,Wang, Yi-Feng,Wang, Zhijuan,Xia, Hui-Min,Xu, Ai-Qing,Zhang, Feng-Lian. "Selective N -monomethylation of primary anilines with the controllable installation of N -CH2D, N -CHD2, and N -CD3units". supporting information. p. 4922 - 4926. Retrieved 2020/07/30.